2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

C15H20O3Si — CID 101181986

IUPAC2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC12C(=O)C=CC(=O)C1C1C=CC2CC1
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-15-11-6-4-10(5-7-11)14(15)12(16)8-9-13(15)17/h4,6,8-11,14H,5,7H2,1-3H3
InChIKeyDKDRQVDKPAJKPW-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.50
Rot. Bonds2

About 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (PubChem CID 101181986) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
PubChem CID101181986
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC12C(=O)C=CC(=O)C1C1C=CC2CC1
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-15-11-6-4-10(5-7-11)14(15)12(16)8-9-13(15)17/h4,6,8-11,14H,5,7H2,1-3H3
InChIKeyDKDRQVDKPAJKPW-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The IUPAC name of 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (CID 101181986) is 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.
What is the SMILES notation for 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The canonical SMILES for 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is C[Si](C)(C)OC12C(=O)C=CC(=O)C1C1C=CC2CC1.
What is the InChIKey of 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The InChIKey is DKDRQVDKPAJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-19(2,3)18-15-11-6-4-10(5-7-11)14(15)12(16)8-9-13(15)17/h4,6,8-11,14H,5,7H2,1-3H3.
What are the key properties of 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione has a molecular weight of 276.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is sourced from PubChem (CID 101181986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).